A combined experimental-computational approach for electrocatalytic detection of epinephrine using nanocomposite sensor based on polyaniline/nickel oxide

•A novel electrochemical sensor based on GCE/PANI/NiO nanocomposite developed for epinephrine.•Very good performances achieved at a molecular level (detection limit: micromolar; recoveries > 100% and reasonable RSDs)•The nanocomposite is cost effective, sensitive and reproducible.•Excellent practical applicability in real sample (adrenaline injection) analysis.•Computational simulations validated experimental results at an atomistic level.